Molecule

ID:31278

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₅NO₃
Molecular Mass
245.2738
Exact Mass
245.10519335
Charge
0
InChI
InChI=1S/C14H15NO3/c1-9-13(10(2)18-15-9)7-12-6-11(8-16)4-5-14(12)17-3/h4-6,8H,7H2,1-3H3
InChIKey
KYMFDJYFADPPKK-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccc(c(c1)Cc1c(C)noc1C)OC
Isomeric Smiles
c1(Cc2c(ccc(c2)C=O)OC)c(onc1C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.3152816
LogD (pH = 7.4)
2.315347
Log P
2.315348
Molar Refractivity
70.0256
Polarizability
25.61548
Polar Surface Area
52.33
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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